N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide

C22H20ClN3O2 — CID 109242529

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(N2CCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-9-19(21(28-2)11-18(14)23)25-22(27)16-10-17(13-24-12-16)26-8-7-15-5-3-4-6-20(15)26/h3-6,9-13H,7-8H2,1-2H3,(H,25,27)
InChIKeyMRKPOIGDRDFKMC-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.00
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide (PubChem CID 109242529) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
PubChem CID109242529
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(N2CCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O2/c1-14-9-19(21(28-2)11-18(14)23)25-22(27)16-10-17(13-24-12-16)26-8-7-15-5-3-4-6-20(15)26/h3-6,9-13H,7-8H2,1-2H3,(H,25,27)
InChIKeyMRKPOIGDRDFKMC-UHFFFAOYSA-N
XLogP5.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide (CID 109242529) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cncc(N2CCc3ccccc32)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
The InChIKey is MRKPOIGDRDFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-14-9-19(21(28-2)11-18(14)23)25-22(27)16-10-17(13-24-12-16)26-8-7-15-5-3-4-6-20(15)26/h3-6,9-13H,7-8H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109242529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).